SCHEMBL8471782

SCHEMBL8471782

CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2[nH]c(NCC(=O)O)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.53
▸ ITGAV P06756 9/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ALPL P05186 2/20 0.51
▸ ALPG P10696 2/20 0.51
▸ ITGA2B P08514 1/20 0.51
▸ PLAA Q9Y263 1/20 0.49
▸ PDK1 Q15118 3/20 0.46
▸ PDK2 Q15119 2/20 0.46
▸ PDK3 Q15120 2/20 0.46
▸ PDK4 Q16654 2/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8464957 0.90 SMN1; SMN2 (0.48) ITGB3ITGAVTDP1ALPLALPG
SCHEMBL8328333 0.78 ALPL (0.64) ALPLALPGPLAANPC1RAB9A
SCHEMBL14025799 0.75 ITGB3 (0.53) ITGB3ITGAVTDP1ITGA2BPDK1
SCHEMBL5103778 0.73 ATM (0.52) ITGB3ITGAVTDP1ITGA2BPDK1
SCHEMBL11353994 0.73 TDP1 (0.68) TDP1NPC1RAB9AKDM4EALDH1A1
SCHEMBL8471785 0.72 ITGB3 (0.48) ITGB3ITGAVTDP1ITGA2BPDK1
SCHEMBL14276925 0.71 TDP1 (0.64) TDP1NPC1RAB9AKDM4EALDH1A1
SCHEMBL8468920 0.71 TDP1 (0.50) ITGB3ITGAVTDP1ITGA2BPDK1
SCHEMBL8325212 0.70 TDP1 (0.49) ITGB3ITGAVTDP1ITGA2BPDK1
SCHEMBL7091035 0.69 ITGB3 (1.00) ITGB3ITGAVTDP1ITGA2BPDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 — — EP claimed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 — — EP claimed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 — — WO claimed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 — — EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 — — EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 — — WO disclosed
Send feedback